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CHEBI:210309 - Aturanoside A

ChEBI IDCHEBI:210309
ChEBI NameAturanoside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO14
Net Charge0
Average Mass647.630
Monoisotopic Mass647.22140
SMILESCCCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C31H37NO14/c1-4-5-13-6-15(9-17-20(13)26(40)21-16(24(17)38)7-14(35)8-18(21)36)44-31-29(28(42)23(37)11(2)43-31)46-30-22(32-12(3)34)27(41)25(39)19(10-33)45-30/h6-9,11,19,22-23,25,27-31,33,35-37,39,41-42H,4-5,10H2,1-3H3,(H,32,34)/t11-,19+,22+,23-,25+,27+,28+,29+,30+,31-/m0/s1
InChIKeyTWYJFYNIDQGHLG-PXSFCNLWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30207722)
ChEBI Ontology
Outgoing Relation(s)
Aturanoside A (CHEBI:210309) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6S)-2-(5,7-dihydroxy-9,10-dioxo-4-propylanthracen-2-yl)oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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